4-[[2,4-bis(oxidanylidene)-5-thiophen-2-yl-pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2,4-bis(oxidanylidene)-5-thiophen-2-yl-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2,4-dioxo-5-(2-thienyl)pyrimidin-1-yl]methyl]benzonitrile CAS Name: 4-[(2,4-dioxo-5-thiophen-2-yl-1-pyrimidinyl)methyl]benzonitrile IUPAC Name: 4-[(2,4-dioxo-5-thiophen-2-ylpyrimidin-1-yl)methyl]benzonitrile Traditional Name: 4-[[2,4-diketo-5-(2-thienyl)pyrimidin-1-yl]methyl]benzonitrile Formula: C16H11N3O2S MolecularWeight: 309.34244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CN(C(=O)NC2=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CSC(=C1)C2=CN(C(=O)NC2=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H11N3O2S/c17-8-11-3-5-12(6-4-11)9-19-10-13(14-2-1-7-22-14)15(20)18-16(19)21/h1-7,10H,9H2,(H,18,20,21)